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Yorodumi- PDB-5f8q: Blood group antigen binding adhesin BabA of Helicobacter pylori s... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5f8q | ||||||||||||||||||
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Title | Blood group antigen binding adhesin BabA of Helicobacter pylori strain S831 in complex with Nanobody Nb-ER19 | ||||||||||||||||||
Components |
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Keywords | CELL ADHESION / Adhesin / Lectin / Nanobody / Complex | ||||||||||||||||||
Function / homology | Function and homology information SabA, N-terminal extracellular adhesion domain / SabA N-terminal extracellular adhesion domain / Outer membrane protein, Helicobacter / Helicobacter outer membrane protein / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta Similarity search - Domain/homology | ||||||||||||||||||
Biological species | Helicobacter pylori (bacteria) Lama glama (llama) | ||||||||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.59 Å | ||||||||||||||||||
Authors | Moonens, K. / Gideonsson, P. / Subedi, S. / Romao, E. / Oscarson, S. / Muyldermans, S. / Boren, T. / Remaut, H. | ||||||||||||||||||
Funding support | Belgium, Sweden, 5items
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Citation | Journal: Cell Host Microbe / Year: 2016 Title: Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori. Authors: Moonens, K. / Gideonsson, P. / Subedi, S. / Bugaytsova, J. / Romao, E. / Mendez, M. / Norden, J. / Fallah, M. / Rakhimova, L. / Shevtsova, A. / Lahmann, M. / Castaldo, G. / Brannstrom, K. / ...Authors: Moonens, K. / Gideonsson, P. / Subedi, S. / Bugaytsova, J. / Romao, E. / Mendez, M. / Norden, J. / Fallah, M. / Rakhimova, L. / Shevtsova, A. / Lahmann, M. / Castaldo, G. / Brannstrom, K. / Coppens, F. / Lo, A.W. / Ny, T. / Solnick, J.V. / Vandenbussche, G. / Oscarson, S. / Hammarstrom, L. / Arnqvist, A. / Berg, D.E. / Muyldermans, S. / Boren, T. / Remaut, H. | ||||||||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5f8q.cif.gz | 410.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5f8q.ent.gz | 338 KB | Display | PDB format |
PDBx/mmJSON format | 5f8q.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/f8/5f8q ftp://data.pdbj.org/pub/pdb/validation_reports/f8/5f8q | HTTPS FTP |
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-Related structure data
Related structure data | 5f7kSC 5f7lC 5f7mC 5f7nC 5f7wC 5f7yC 5f8rC 5f93C 5f97C 5f9aC 5f9dC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 0 / End auth comp-ID: SER / End label comp-ID: SER / Refine code: 0
NCS ensembles :
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-Components
#1: Protein | Mass: 49418.289 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: In this hybrid construct the diversity loop 1 (DL1) of the Spanish specialist strain S831 was grafted into the framework of the generalist strain 17875 Source: (gene. exp.) Helicobacter pylori (bacteria) / Gene: babA2, babA / Production host: Escherichia coli (E. coli) / Variant (production host): Top10 / References: UniProt: O52269, UniProt: Q6DSZ5 #2: Antibody | Mass: 13260.856 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lama glama (llama) / Production host: Escherichia coli (E. coli) / Variant (production host): WK6 #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.21 Å3/Da / Density % sol: 61.66 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 0.2 M potassium thiocyanate, 0.1 M Bis Tris propane pH 7.5, 20 % w/v PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.9786 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Apr 2, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9786 Å / Relative weight: 1 |
Reflection | Resolution: 2.59→48.5 Å / Num. obs: 49587 / % possible obs: 97.7 % / Redundancy: 3.6 % / Rmerge(I) obs: 0.051 / Net I/σ(I): 9.4 |
Reflection shell | Resolution: 2.59→2.73 Å / Redundancy: 3 % / Rmerge(I) obs: 0.791 / Mean I/σ(I) obs: 1.3 / % possible all: 89.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5F7K Resolution: 2.59→48.5 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.929 / SU B: 23.114 / SU ML: 0.217 / Cross valid method: THROUGHOUT / ESU R: 0.379 / ESU R Free: 0.253 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 68.566 Å2
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Refinement step | Cycle: 1 / Resolution: 2.59→48.5 Å
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Refine LS restraints |
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